A collaborative informatics infrastructure for multi-scale science

The collaboratory for multiscale chemical science (CMCS) is developing a powerful informatics-based approach to synthesizing multiscale information to support a systems-based research approach and is applying it in support of combustion research. An open source multiscale informatics toolkit is being developed that addresses a number of issues core to the emerging concept of knowledge grids including provenance tracking and lightweight federation of data and application resources into cross-scale information flows. The CMCS portal is currently in use by a number of high-profile pilot groups and is playing a significant role in enabling their efforts to improve and extend community maintained chemical reference information.